SCHEMBL210667

SCHEMBL210667

COC(=O)c1ccc(Nc2nc3ccc(OC)cc3s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.76
KMT2A Q03164 11/20 0.76
NPC1 O15118 10/20 0.76
RAB9A P51151 10/20 0.76
SMN1; SMN2 Q16637 9/20 0.76
MAPT P10636 8/20 0.76
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69
RELA Q04206 3/20 0.69
SCD O00767 7/20 0.67
HTT P42858 4/20 0.67
GAA P10253 4/20 0.67
HPGD P15428 4/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
DYRK1A Q13627 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL212825 0.90 KMT2A (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4919654 0.85 SCD (0.88) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10081066 0.84 PIK3CG (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16562121 0.83 SCD (0.89) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2759505 0.83 MAPT (0.86) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1064848 0.82 HDAC1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1761313 0.82 SMN1; SMN2 (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14880886 0.82 MAPT (0.84) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1821539 0.82 PDE10A (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1307056 0.81 MAPT (0.82) MEN1KMT2ANPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MEN1 2386/4885KMT2A 68/4885NPC1 1293/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MEN1 2075/4885KMT2A 123/4885NPC1 1178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.